2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

C19H23NO3S — CID 32603483

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCCOc1ccc(SCC(=O)NCc2ccccc2COC)cc1
InChIInChI=1S/C19H23NO3S/c1-3-23-17-8-10-18(11-9-17)24-14-19(21)20-12-15-6-4-5-7-16(15)13-22-2/h4-11H,3,12-14H2,1-2H3,(H,20,21)
InChIKeyMZFAREWFOSXNSB-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.64
Rot. Bonds9

About 2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 32603483) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID32603483
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCCOc1ccc(SCC(=O)NCc2ccccc2COC)cc1
InChIInChI=1S/C19H23NO3S/c1-3-23-17-8-10-18(11-9-17)24-14-19(21)20-12-15-6-4-5-7-16(15)13-22-2/h4-11H,3,12-14H2,1-2H3,(H,20,21)
InChIKeyMZFAREWFOSXNSB-UHFFFAOYSA-N
XLogP3.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8969620
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
2-(3-cyanophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 71853113
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
2-(4-methoxyphenyl)sulfanyl-N-(naphthalen-1-ylmethyl)acetamide
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2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 55376080
2-(4-methoxyphenyl)sulfanyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9069058
3-(4-fluorophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 33066011
3-(4-bromophenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 55998004
2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide
CID 79675642
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (CID 32603483) is 2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is CCOc1ccc(SCC(=O)NCc2ccccc2COC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is MZFAREWFOSXNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-3-23-17-8-10-18(11-9-17)24-14-19(21)20-12-15-6-4-5-7-16(15)13-22-2/h4-11H,3,12-14H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 345.46 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 32603483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).